ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C13H17FN2O2 — CID 142389923

IUPACethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC.NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2O2.C2H6/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15;1-2/h1-4H,5-6H2,(H2,13,15)(H,14,16);1-2H3
InChIKeyDASGNNQEKXUEDQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.06
Rot. Bonds3

About ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 142389923) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Nameethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID142389923
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC.NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2O2.C2H6/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15;1-2/h1-4H,5-6H2,(H2,13,15)(H,14,16);1-2H3
InChIKeyDASGNNQEKXUEDQ-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-N'-(4-chloro-3-propan-2-ylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170149362
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380

Frequently Asked Questions

What is the IUPAC name of ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 142389923) is ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CC.NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DASGNNQEKXUEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2.C2H6/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15;1-2/h1-4H,5-6H2,(H2,13,15)(H,14,16);1-2H3.
What are the key properties of ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 252.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 142389923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).